4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol

C39H44Cl2N6O4 — CID 170983545

IUPAC4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol
SMILESCOc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CNC6CCC(O)CC6)cn5c4)c3Cl)c2Cl)ccc1CNC1CCC(O)CC1
InChIInChI=1S/C39H44Cl2N6O4/c1-50-34-18-24(21-47-22-27(45-38(34)47)20-44-26-9-13-29(49)14-10-26)37-36(41)31(16-17-42-37)30-4-3-5-32(35(30)40)33-15-6-23(39(46-33)51-2)19-43-25-7-11-28(48)12-8-25/h3-6,15-18,21-22,25-26,28-29,43-44,48-49H,7-14,19-20H2,1-2H3
InChIKeySFJRPOASMAAKRL-UHFFFAOYSA-N
MW731.73 g/mol
LogP7.24
Rot. Bonds11

About 4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol

4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol (PubChem CID 170983545) has the molecular formula C39H44Cl2N6O4 and a molecular weight of 731.73 g/mol. Its IUPAC name is 4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol
PubChem CID170983545
Molecular FormulaC39H44Cl2N6O4
Molecular Weight731.73 g/mol
Exact Mass730.28
IUPAC Name4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol
SMILESCOc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CNC6CCC(O)CC6)cn5c4)c3Cl)c2Cl)ccc1CNC1CCC(O)CC1
InChIInChI=1S/C39H44Cl2N6O4/c1-50-34-18-24(21-47-22-27(45-38(34)47)20-44-26-9-13-29(49)14-10-26)37-36(41)31(16-17-42-37)30-4-3-5-32(35(30)40)33-15-6-23(39(46-33)51-2)19-43-25-7-11-28(48)12-8-25/h3-6,15-18,21-22,25-26,28-29,43-44,48-49H,7-14,19-20H2,1-2H3
InChIKeySFJRPOASMAAKRL-UHFFFAOYSA-N
XLogP7.24
TPSA126.06 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.73
LogP ≤ 57.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol (CID 170983545) is 4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol is COc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CNC6CCC(O)CC6)cn5c4)c3Cl)c2Cl)ccc1CNC1CCC(O)CC1.
What is the InChIKey of 4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol?
The InChIKey is SFJRPOASMAAKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44Cl2N6O4/c1-50-34-18-24(21-47-22-27(45-38(34)47)20-44-26-9-13-29(49)14-10-26)37-36(41)31(16-17-42-37)30-4-3-5-32(35(30)40)33-15-6-23(39(46-33)51-2)19-43-25-7-11-28(48)12-8-25/h3-6,15-18,21-22,25-26,28-29,43-44,48-49H,7-14,19-20H2,1-2H3.
What are the key properties of 4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol?
4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol has a molecular weight of 731.73 g/mol, XLogP of 7.24, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[2-chloro-3-[3-chloro-2-[2-[[(4-hydroxycyclohexyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 170983545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).